Fidrisertib
[(3R)-oxolan-3-yl] 4-[6-[5-(4-ethoxy-1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate
Molecular Identity
Fidrisertib
[(3R)-oxolan-3-yl] 4-[6-[5-(4-ethoxy-1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate
PubChem CID: 132026427
2D Structure
Properties
C31H42N6O4
Molecular Formula
562.70
Molecular Weight
g/mol
562.3268
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
84.7
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
8
H-Bond Acceptors
862
Complexity
SMILES
Canonical SMILES
SMILES: CCOC1(CCN(CC1)C(C)C)C2=CN=C(C=C2)C3=CN4C(=C3)C(=CC=N4)N5CCN(CC5)C(=O)OC6CCOC6Isomeric SMILES
SMILES: CCOC1(CCN(CC1)C(C)C)C2=CN=C(C=C2)C3=CN4C(=C3)C(=CC=N4)N5CCN(CC5)C(=O)O[C@@H]6CCOC6Synonyms(20)
fidrisertibBLU-782ALK2-IN-1BLU782KF4ZI0CJ7MIPN60130IPN-60130FIDRISERTIB [INN][(3R)-oxolan-3-yl] 4-[6-[5-(4-ethoxy-1-propan-2-ylpiperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate((3R)-oxolan-3-yl) 4-(6-(5-(4-ethoxy-1-propan-2-ylpiperidin-4-yl)pyridin-2-yl)pyrrolo(1,2-b)pyridazin-4-yl)piperazine-1-carboxylateRefChem:1404182141955-96-4(R)-Tetrahydrofuran-3-yl 4-(6-(5-(4-ethoxy-1-isopropylpiperidin-4-yl)pyridin-2-yl)pyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate(R)-Tetrahydrofuran-3-yl4-(6-(5-(4-ethoxy-1-isopropylpiperidin-4-yl)pyridin-2-yl)pyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate1-Piperazinecarboxylic acid, 4-[6-[5-[4-ethoxy-1-(1-methylethyl)-4-piperidinyl]-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]-, (3R)-tetrahydro-3-furanyl ester
Data from PubChem (NCBI)
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